(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine

C6H13AlFNO — CID 163524804

IUPAC(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine
SMILESC[C@H]1CO[C@H]([AlH2])[C@@H](N)C1F
InChIInChI=1S/C6H11FNO.Al.2H/c1-4-2-9-3-5(8)6(4)7;;;/h3-6H,2,8H2,1H3;;;/t4-,5+,6?;;;/m0.../s1
InChIKeyDNVNOTIORADJJU-OKGDMBFWSA-N
MW161.16 g/mol
LogP-0.72
Rot. Bonds

About (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine

(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine (PubChem CID 163524804) has the molecular formula C6H13AlFNO and a molecular weight of 161.16 g/mol. Its IUPAC name is (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine.

Molecular Properties

Compound Name(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine
PubChem CID163524804
Molecular FormulaC6H13AlFNO
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine
SMILESC[C@H]1CO[C@H]([AlH2])[C@@H](N)C1F
InChIInChI=1S/C6H11FNO.Al.2H/c1-4-2-9-3-5(8)6(4)7;;;/h3-6H,2,8H2,1H3;;;/t4-,5+,6?;;;/m0.../s1
InChIKeyDNVNOTIORADJJU-OKGDMBFWSA-N
XLogP-0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-alumanyl-4-fluoro-5-propyloxan-3-amine
CID 163485497
(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
CID 125452174
(2R,3S)-2-alumanyl-5-methyloxan-3-amine
CID 148890995
(2S,3S)-2,3-dimethyloxetane
CID 76764483
3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912924
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
CID 143794731
(1R,2R,5R)-2-fluoro-5-methylcyclopentan-1-amine
CID 125452095
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566
5-methyl-1,3-dioxan-2-amine
CID 154516283
3,5-dimethylpiperidin-4-amine
CID 10171243

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine?
The IUPAC name of (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine (CID 163524804) is (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine.
What is the SMILES notation for (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine?
The canonical SMILES for (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine is C[C@H]1CO[C@H]([AlH2])[C@@H](N)C1F.
What is the InChIKey of (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine?
The InChIKey is DNVNOTIORADJJU-OKGDMBFWSA-N. The full InChI is InChI=1S/C6H11FNO.Al.2H/c1-4-2-9-3-5(8)6(4)7;;;/h3-6H,2,8H2,1H3;;;/t4-,5+,6?;;;/m0.../s1.
What are the key properties of (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine?
(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine has a molecular weight of 161.16 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine is sourced from PubChem (CID 163524804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).